[3-(2-bromanyl-3-methyl-3-oxidanyl-butyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] ethanoate

Systemtic Name: [3-(2-bromanyl-3-methyl-3-oxidanyl-butyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] ethanoate Openeye Name: [3-(2-bromo-3-hydroxy-3-methyl-butyl)-1,4-dioxo-2-naphthyl] acetate CAS Name: acetic acid [3-(2-bromo-3-hydroxy-3-methylbutyl)-1,4-dioxo-2-naphthalenyl] ester IUPAC Name: [3-(2-bromo-3-hydroxy-3-methylbutyl)-1,4-dioxonaphthalen-2-yl] acetate Traditional Name: acetic acid [3-(2-bromo-3-hydroxy-3-methyl-butyl)-1,4-diketo-2-naphthyl] ester Formula: C17H17BrO5 MolecularWeight: 381.21788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C(C)(C)O)Br

Isomeric SMILES

CC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C(C)(C)O)Br

InChI

InChI=1S/C17H17BrO5/c1-9(19)23-16-12(8-13(18)17(2,3)22)14(20)10-6-4-5-7-11(10)15(16)21/h4-7,13,22H,8H2,1-3H3